7-(trifluoromethyl)-2,3-dihydroinden-1-one

C10H7F3O — CID 22754140

IUPAC7-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H7F3O/c11-10(12,13)7-3-1-2-6-4-5-8(14)9(6)7/h1-3H,4-5H2
InChIKeyRHHGHWBHOQXKNZ-UHFFFAOYSA-N
MW200.16 g/mol
LogP2.83
Rot. Bonds

About 7-(trifluoromethyl)-2,3-dihydroinden-1-one

7-(trifluoromethyl)-2,3-dihydroinden-1-one (PubChem CID 22754140) has the molecular formula C10H7F3O and a molecular weight of 200.16 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,3-dihydroinden-1-one
PubChem CID22754140
Molecular FormulaC10H7F3O
Molecular Weight200.16 g/mol
Exact Mass200.04
IUPAC Name7-(trifluoromethyl)-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(C(F)(F)F)c21
InChIInChI=1S/C10H7F3O/c11-10(12,13)7-3-1-2-6-4-5-8(14)9(6)7/h1-3H,4-5H2
InChIKeyRHHGHWBHOQXKNZ-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,3-dihydroinden-1-one?
The IUPAC name of 7-(trifluoromethyl)-2,3-dihydroinden-1-one (CID 22754140) is 7-(trifluoromethyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-(trifluoromethyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 7-(trifluoromethyl)-2,3-dihydroinden-1-one is O=C1CCc2cccc(C(F)(F)F)c21.
What is the InChIKey of 7-(trifluoromethyl)-2,3-dihydroinden-1-one?
The InChIKey is RHHGHWBHOQXKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O/c11-10(12,13)7-3-1-2-6-4-5-8(14)9(6)7/h1-3H,4-5H2.
What are the key properties of 7-(trifluoromethyl)-2,3-dihydroinden-1-one?
7-(trifluoromethyl)-2,3-dihydroinden-1-one has a molecular weight of 200.16 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 22754140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).